CID 3033468

Brn 2458469

Structural Information

Molecular Formula
C14H21ClN2S
SMILES
CCN(CC)CCCNC(=S)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H21ClN2S/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKey
OYEDSVFMEKIMJP-UHFFFAOYSA-N
Compound name
4-chloro-N-[3-(diethylamino)propyl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1114 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11868 167.3
[M+Na]+ 307.10062 178.1
[M+NH4]+ 302.14522 176.0
[M+K]+ 323.07456 168.1
[M-H]- 283.10412 171.0
[M+Na-2H]- 305.08607 172.9
[M]+ 284.11085 170.6
[M]- 284.11195 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.